(2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate

Systemtic Name: (2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate Openeye Name: (2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethyl-quinoline-4-carboxylate CAS Name: 2-(4-bromophenyl)-6,8-dimethyl-4-quinolinecarboxylic acid (2,5-dimethylphenyl) ester IUPAC Name: (2,5-dimethylphenyl) 2-(4-bromophenyl)-6,8-dimethylquinoline-4-carboxylate Traditional Name: 2-(4-bromophenyl)-6,8-dimethyl-cinchoninic acid (2,5-dimethylphenyl) ester Formula: C26H22BrNO2 MolecularWeight: 460.36238

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br

Isomeric SMILES

CC1=CC(=C(C=C1)C)OC(=O)C2=CC(=NC3=C(C=C(C=C23)C)C)C4=CC=C(C=C4)Br

InChI

InChI=1S/C26H22BrNO2/c1-15-5-6-17(3)24(13-15)30-26(29)22-14-23(19-7-9-20(27)10-8-19)28-25-18(4)11-16(2)12-21(22)25/h5-14H,1-4H3